SCHEMBL6682856

SCHEMBL6682856

OC(=S)N(C(O)=S)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.46
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADH1A P07327 4/20 0.33
FDPS P14324 1/20 0.33
ADH1C P00326 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
ABCC1 P33527 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7079485 0.85 PHGDH (0.40) PHGDHMGLLFAAHALDH1A1ADH1A
SCHEMBL6685930 0.79 CA12 (0.44) PHGDHMGLLFAAHCA12CA1
SCHEMBL3072501 0.78 PHGDH (0.58) PHGDHMGLLFAAHALDH1A1TP53
SCHEMBL472875 0.72 CES2 (0.39) PHGDHALDH1A1ADH1AFDPSADH1C
SCHEMBL6560193 0.72 PHGDH (0.36) PHGDHMGLLFAAHALDH1A1ADH1A
SCHEMBL3067573 0.72 PHGDH (0.52) PHGDHMGLLFAAHALDH1A1TP53
Hydrochloric Acid SCHEMBL11632374 0.72 PHGDH (0.59) PHGDHMGLLFAAHALDH1A1CYP3A4
SCHEMBL10751220 0.70 PHGDH (0.50) PHGDHMGLLFAAHALDH1A1TP53
SCHEMBL28496043 0.69 ALOX5 (0.39) PHGDHMGLLFAAHALDH1A1ADH1A
SCHEMBL1123366 0.69 L3MBTL1 (0.46) PHGDHMGLLFAAHALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed